Hi Edward,
Thank you for your mail and also for pointing me to the right email
address. As I mentioned in my previous mail, I tried fitting some R1rho
(off-resonance) data using NESSY -12.3.1 (on UBUNTU) and received error
messages. Please see below for the details of the experimental set up and
the error messages:
*Experimental set up-*
Experiment Type: R1rho Dispersion (off-resonance)
Heteronuclear Frequency [MHz]:
81.079
Offset [Hz]:
2000
Spin-lock time [s]:
0.02
0.04
0.06
0.08
0.1
Spin-lock power [Hz]:
0.08
*Analysis-
*
Execution Protocol......
Evaluating Datasets and Experiments:
==================================================
Checking if project folder is set up... [Ok]
Evaluating Experiment 1.....
=============================================
Experiment 1 checked.
-----------------------------------------------------------------
1 experiment will be analyzed.
-----------------------------------------------------------------
Experiment mode: Off resonance R1rho relaxation dispersion.
Reading data....done.
Starting R1rho calculation.
Calculating R1rho for residue 1, Offset: 12566.3706Hz
R1rho: 15.1
R1rho: 15.1
R1rho: 15.1
R1rho: 15.100
R1rho: -54.45
R1rho: 8.1449
R1rho: 8.1449
R1rho: -0.423
R1rho: -0.423
R1rho: -9.194
R1rho: -9.194
R1rho: -11.35
R1rho: -11.35
R1rho: -11.21
R1rho: -11.21
R1rho: -11.21
R1rho: -11.21
R1rho: -11.21
R1rho: -11.21
R1rho: -11.21
R1rho: -11.21
R1rho: -11.21
R1rho: -11.21
R1rho: -11.21
Calculating R1rho for residue 2, Offset: 12566.3706Hz
R1rho: 15.1
R1rho: 15.1
R1rho: 15.1
R1rho: 15.100
R1rho: -49.77
R1rho: 8.6127
R1rho: 8.6127
R1rho: 0.3406
R1rho: 0.3406
R1rho: -8.368
R1rho: -8.368
R1rho: -10.65
R1rho: -10.65
R1rho: -10.51
R1rho: -10.51
R1rho: -10.50
R1rho: -10.50
R1rho: -10.50
R1rho: -10.50
R1rho: -10.50
R1rho: -10.50
R1rho: -10.50
Pooled variance for residue 1, of experiment 1 is 1.0
Pooled variance for residue 2, of experiment 1 is 1.0
Fitting residue 1 to model 1...
R1: 0.01/s, R2: 15.1 1/s
NESSY error> Unhandled exception in thread started by
NESSY error>
NESSY error> Traceback (most recent call last):
NESSY error> File "/usr/share/nessy/elements/redirect.py", line 93, in
write
NESSY error>
NESSY error> self.report.SetSelection(self.max-self.pageno)
NESSY error> File
"/usr/lib/python2.7/dist-packages/wx-2.8-gtk2-unicode/wx/_controls.py",
line 3013, in SetSelection
NESSY error>
NESSY error> return _controls_.BookCtrlBase_SetSelection(*args, **kwargs)
NESSY error> File "/usr/share/nessy/func/calc.py", line 62, in __init__
NESSY error>
NESSY error> Run_spinlock(self.main, globalfit=True, onresonance=False)
NESSY error> File "/usr/share/nessy/curvefit/calc_R1rho_models.py", line
121, in __init__
NESSY error>
NESSY error> self.minimise(num_exp=num_exp, model=1, globalfit=globalfit,
onresonance=onresonance)
NESSY error> File "/usr/share/nessy/curvefit/calc_R1rho_models.py", line
1013, in minimise
NESSY error>
NESSY error> fit = leastsq(fit_func[str(model)], p, args=(y, error, field,
offset, globalfit, self.main.report_panel, self.main.spec_freq),
full_output = 1, col_deriv = 1, ftol = self.main.tolerance, xtol =
self.main.tolerance,maxfev=2000000)
NESSY error> File
"/usr/lib/python2.7/dist-packages/scipy/optimize/minpack.py", line 275, in
leastsq
NESSY error>
NESSY error> raise TypeError('Improper input: N=%s must not exceed M=%s' %
(n,m))
NESSY error> TypeError
NESSY error> :
NESSY error> Improper input: N=2 must not exceed M=1
NESSY error>
Any help/suggestions will be highly appreciated.
Best wishes,
Susmita
--
Susmita Borthakur, D.Phil.
Postdoctoral Scholar
Department of Physiology & Biophysics
School of Medicine
Case Western Reserve University
10900 Euclid Avenue
Cleveland OH 44106-4970
tel: +1-216-368-8654
email: [email protected]
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